6SZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.34Å | Aromatic |
| O2A | PA | doub | 1.48Å | 1.49Å | |
| C6 | C5 | doub | 1.40Å | 1.45Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.47Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.44Å | Aromatic |
| PA | O1A | sing | 1.61Å | 1.48Å | |
| PA | O3' | sing | 1.63Å | 1.62Å | |
| PA | O5' | sing | 1.62Å | 1.59Å | |
| O3' | C3' | sing | 1.43Å | 1.38Å | |
| C3' | C2' | sing | 1.53Å | 1.48Å | |
| C3' | C4' | sing | 1.55Å | 1.50Å | |
| N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.29Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.45Å | |
| C4 | N3 | doub | 1.33Å | 1.32Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.49Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| O5' | C5' | sing | 1.45Å | 1.41Å | |
| C1' | O4' | sing | 1.45Å | 1.41Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.35Å | |
| C5' | C4' | sing | 1.52Å | 1.49Å | |
| C4' | O4' | sing | 1.43Å | 1.41Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| O2' | H7 | sing | 0.97Å | 0.95Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O1A | H9 | sing | 0.97Å | 0.95Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N7 | C5 | 106.4° | 109.5° |
| N7 | C8 | N9 | 109.5° | 110.1° |
| N7 | C8 | H4 | 125.3° | 124.9° |
| N7 | C5 | C6 | 131.0° | 134.6° |
| N7 | C5 | C4 | 107.5° | 107.0° |
| O2A | PA | O1A | 123.6° | 109.9° |
| O2A | PA | O3' | 101.4° | 110.0° |
| O2A | PA | O5' | 107.4° | 110.0° |
| C5 | C6 | N1 | 111.1° | 118.7° |
| C6 | C5 | C4 | 121.5° | 118.3° |
| C5 | C6 | H3 | 124.4° | 120.7° |
| C6 | N1 | C2 | 122.6° | 121.3° |
| N1 | C6 | H3 | 124.4° | 120.6° |
| C8 | N9 | C4 | 110.6° | 107.5° |
| C8 | N9 | C1' | 130.4° | 126.2° |
| N9 | C8 | H4 | 125.3° | 125.0° |
| C5 | C4 | N9 | 106.0° | 105.9° |
| C5 | C4 | N3 | 121.9° | 119.1° |
| O1A | PA | O3' | 110.7° | 110.0° |
| O1A | PA | O5' | 106.9° | 110.0° |
| PA | O1A | H9 | 109.5° | 114.0° |
| O3' | PA | O5' | 105.6° | 106.9° |
| PA | O3' | C3' | 106.5° | 116.6° |
| PA | O5' | C5' | 114.2° | 120.2° |
| O3' | C3' | C2' | 114.5° | 114.6° |
| O3' | C3' | C4' | 108.7° | 106.2° |
| O3' | C3' | H8 | 112.2° | 111.8° |
| C2' | C3' | C4' | 99.6° | 100.9° |
| C3' | C2' | C1' | 101.3° | 103.3° |
| C3' | C2' | O2' | 112.5° | 110.7° |
| C3' | C2' | H6 | 111.6° | 110.8° |
| C2' | C3' | H8 | 110.6° | 111.2° |
| C3' | C4' | C5' | 115.8° | 109.0° |
| C3' | C4' | O4' | 104.1° | 103.0° |
| C4' | C3' | H8 | 110.4° | 111.4° |
| C3' | C4' | H10 | 107.0° | 109.5° |
| N1 | C2 | N3 | 124.0° | 122.2° |
| N1 | C2 | N2 | 120.6° | 118.9° |
| C4 | N9 | C1' | 118.9° | 126.3° |
| N9 | C4 | N3 | 132.1° | 135.0° |
| N9 | C1' | C2' | 107.7° | 109.9° |
| N9 | C1' | O4' | 106.4° | 109.9° |
| N9 | C1' | H5 | 111.1° | 109.9° |
| C4 | N3 | C2 | 118.9° | 120.4° |
| C1' | C2' | O2' | 106.7° | 110.7° |
| C2' | C1' | O4' | 109.2° | 107.1° |
| C2' | C1' | H5 | 110.5° | 110.0° |
| C1' | C2' | H6 | 111.5° | 110.6° |
| O2' | C2' | H6 | 112.6° | 110.5° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| O5' | C5' | C4' | 101.9° | 106.7° |
| O5' | C5' | H11 | 111.4° | 110.0° |
| O5' | C5' | H12 | 111.3° | 110.1° |
| C1' | O4' | C4' | 105.2° | 105.5° |
| O4' | C1' | H5 | 111.8° | 109.9° |
| N3 | C2 | N2 | 115.5° | 118.9° |
| C2 | N2 | H1 | 109.5° | 120.0° |
| C2 | N2 | H2 | 109.5° | 120.0° |
| C5' | C4' | O4' | 114.1° | 116.6° |
| C5' | C4' | H10 | 107.2° | 109.0° |
| C4' | C5' | H11 | 111.3° | 110.0° |
| C4' | C5' | H12 | 111.3° | 110.0° |
| O4' | C4' | H10 | 108.2° | 109.5° |
| H1 | N2 | H2 | 109.5° | 120.0° |
| H11 | C5' | H12 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N7 | C5 | C6 | 180.0° | 180.0° |
| N7 | C8 | N9 | H4 | 180.0° | 179.9° |
| C8 | N7 | C5 | C4 | 0.9° | 0.1° |
| N7 | C8 | N9 | C4 | 0.8° | 0.0° |
| N7 | C8 | N9 | C1' | 178.0° | 180.0° |
| N7 | C5 | C6 | C4 | 179.0° | 179.9° |
| N7 | C5 | C6 | N1 | 178.5° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.1° |
| N7 | C5 | C4 | N9 | 1.4° | 0.0° |
| N7 | C5 | C4 | N3 | 178.4° | 180.0° |
| N7 | C5 | C6 | H3 | 1.4° | 0.1° |
| C5 | N7 | C8 | H4 | 179.9° | 180.0° |
| O2A | PA | O1A | O3' | 120.3° | 121.3° |
| O2A | PA | O1A | O5' | 125.3° | 121.3° |
| O2A | PA | O3' | O5' | 111.9° | 119.4° |
| O2A | PA | O3' | C3' | 53.5° | 81.4° |
| O2A | PA | O5' | C5' | 46.6° | 85.3° |
| O2A | PA | O1A | H9 | 0.0° | 58.7° |
| C5 | C6 | N1 | H3 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | N9 | 179.3° | 180.0° |
| C6 | C5 | C4 | N3 | 0.8° | 0.1° |
| N1 | C6 | C5 | C4 | 0.5° | 0.1° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | N2 | 179.6° | 180.0° |
| C8 | N9 | C4 | C5 | 1.4° | 0.0° |
| C8 | N9 | C4 | C1' | 177.5° | 180.0° |
| C8 | N9 | C4 | N3 | 178.5° | 180.0° |
| C8 | N9 | C1' | C2' | 67.1° | 94.1° |
| C8 | N9 | C1' | O4' | 49.9° | 23.6° |
| C8 | N9 | C1' | H5 | 171.8° | 144.6° |
| C5 | C4 | N9 | N3 | 179.8° | 180.0° |
| C5 | C4 | N9 | C1' | 178.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| O1A | PA | O3' | O5' | 115.3° | 119.4° |
| O1A | PA | O3' | C3' | 173.7° | 157.4° |
| O1A | PA | O5' | C5' | 178.9° | 153.4° |
| PA | O3' | C3' | C2' | 171.9° | 167.9° |
| PA | O3' | C3' | C4' | 61.5° | 57.4° |
| O3' | PA | O5' | C5' | 61.0° | 34.0° |
| PA | O3' | C3' | H8 | 60.9° | 64.4° |
| O3' | PA | O1A | H9 | 120.2° | 179.9° |
| O5' | PA | O3' | C3' | 58.5° | 38.0° |
| PA | O5' | C5' | C4' | 59.5° | 49.7° |
| O5' | PA | O1A | H9 | 125.3° | 62.6° |
| PA | O5' | C5' | H11 | 178.3° | 69.6° |
| PA | O5' | C5' | H12 | 59.3° | 169.0° |
| O3' | C3' | C2' | C4' | 115.8° | 113.7° |
| O3' | C3' | C2' | H8 | 128.0° | 128.0° |
| O3' | C3' | C4' | H8 | 123.5° | 121.9° |
| O3' | C3' | C2' | C1' | 153.6° | 139.4° |
| O3' | C3' | C2' | O2' | 40.1° | 21.0° |
| O3' | C3' | C4' | C5' | 68.3° | 72.6° |
| O3' | C3' | C4' | O4' | 165.5° | 162.9° |
| O3' | C3' | C2' | H6 | 87.6° | 102.0° |
| O3' | C3' | C4' | H10 | 51.1° | 46.5° |
| C2' | C3' | C4' | H8 | 116.4° | 118.2° |
| C3' | C2' | C1' | N9 | 95.6° | 118.2° |
| C3' | C2' | C1' | O2' | 117.8° | 118.5° |
| C3' | C2' | C1' | H6 | 118.9° | 118.6° |
| C3' | C2' | O2' | H6 | 127.1° | 123.1° |
| C3' | C2' | C1' | O4' | 19.5° | 1.2° |
| C2' | C3' | C4' | C5' | 171.6° | 167.5° |
| C2' | C3' | C4' | O4' | 45.4° | 43.0° |
| C3' | C2' | C1' | H5 | 142.9° | 120.7° |
| C3' | C2' | O2' | H7 | 180.0° | 175.3° |
| C2' | C3' | C4' | H10 | 69.0° | 73.4° |
| C4' | C3' | C2' | C1' | 37.8° | 25.8° |
| C4' | C3' | C2' | O2' | 75.7° | 92.7° |
| C3' | C4' | C5' | O5' | 62.1° | 67.1° |
| C3' | C4' | O4' | C1' | 33.8° | 43.6° |
| C3' | C4' | C5' | O4' | 120.9° | 116.0° |
| C3' | C4' | C5' | H10 | 119.4° | 119.4° |
| C3' | C4' | O4' | H10 | 113.6° | 116.4° |
| C4' | C3' | C2' | H6 | 156.6° | 144.3° |
| C3' | C4' | C5' | H11 | 179.1° | 52.2° |
| C3' | C4' | C5' | H12 | 56.7° | 173.5° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N3 | N2 | 179.7° | 180.0° |
| N1 | C2 | N2 | H1 | 0.0° | 0.1° |
| N1 | C2 | N2 | H2 | 120.0° | 180.0° |
| C2 | N1 | C6 | H3 | 179.9° | 180.0° |
| C4 | N9 | C1' | C2' | 115.9° | 85.9° |
| C4 | N9 | C1' | O4' | 127.1° | 156.4° |
| N9 | C4 | N3 | C2 | 179.5° | 180.0° |
| C4 | N9 | C8 | H4 | 179.1° | 180.0° |
| C4 | N9 | C1' | H5 | 5.2° | 35.4° |
| C1' | N9 | C4 | N3 | 0.9° | 0.0° |
| N9 | C1' | C2' | O4' | 115.2° | 119.4° |
| N9 | C1' | C2' | H5 | 121.5° | 121.1° |
| N9 | C1' | C2' | O2' | 146.6° | 123.3° |
| N9 | C1' | O4' | H5 | 121.4° | 121.0° |
| N9 | C1' | O4' | C4' | 124.9° | 146.1° |
| C1' | N9 | C8 | H4 | 2.0° | 0.0° |
| N9 | C1' | C2' | H6 | 23.2° | 0.4° |
| C4 | N3 | C2 | N2 | 179.4° | 180.0° |
| C1' | C2' | O2' | H6 | 122.6° | 122.9° |
| C2' | C1' | O4' | H5 | 122.6° | 119.5° |
| C2' | C1' | O4' | C4' | 8.9° | 26.7° |
| C1' | C2' | O2' | H7 | 69.7° | 61.4° |
| C1' | C2' | C3' | H8 | 78.4° | 92.6° |
| O2' | C2' | C1' | O4' | 98.3° | 117.2° |
| O2' | C2' | C1' | H5 | 25.1° | 2.2° |
| O2' | C2' | C3' | H8 | 168.1° | 149.0° |
| O5' | C5' | C4' | H11 | 118.8° | 119.3° |
| O5' | C5' | C4' | H12 | 118.8° | 119.4° |
| O5' | C5' | C4' | O4' | 177.1° | 176.8° |
| O5' | C5' | C4' | H10 | 57.3° | 52.3° |
| O5' | C5' | H11 | H12 | 123.5° | 121.4° |
| C1' | O4' | C4' | C5' | 161.0° | 162.9° |
| O4' | C1' | C2' | H6 | 138.4° | 119.9° |
| C1' | O4' | C4' | H10 | 79.8° | 72.8° |
| N3 | C2 | N2 | H1 | 179.7° | 179.9° |
| N3 | C2 | N2 | H2 | 59.7° | 0.0° |
| C2 | N2 | H1 | H2 | 120.0° | 179.9° |
| C5' | C4' | O4' | H10 | 119.2° | 124.2° |
| C5' | C4' | C3' | H8 | 55.2° | 49.3° |
| C4' | C5' | H11 | H12 | 123.5° | 121.3° |
| C4' | O4' | C1' | H5 | 113.7° | 92.8° |
| O4' | C4' | C3' | H8 | 70.9° | 75.2° |
| O4' | C4' | C5' | H11 | 58.3° | 63.9° |
| O4' | C4' | C5' | H12 | 64.2° | 57.5° |
| H5 | C1' | C2' | H6 | 98.3° | 120.7° |
| H6 | C2' | O2' | H7 | 52.9° | 61.5° |
| H6 | C2' | C3' | H8 | 40.4° | 26.0° |
| H8 | C3' | C4' | H10 | 174.7° | 168.4° |
| H10 | C4' | C5' | H11 | 61.5° | 171.6° |
| H10 | C4' | C5' | H12 | 176.1° | 67.1° |
